N-[1-(3-methylcyclohexyl)ethyl]-3-(oxan-4-yloxy)propanamide

C17H31NO3 — CID 75425155

IUPACN-[1-(3-methylcyclohexyl)ethyl]-3-(oxan-4-yloxy)propanamide
SMILESCC1CCCC(C(C)NC(=O)CCOC2CCOCC2)C1
InChIInChI=1S/C17H31NO3/c1-13-4-3-5-15(12-13)14(2)18-17(19)8-11-21-16-6-9-20-10-7-16/h13-16H,3-12H2,1-2H3,(H,18,19)
InChIKeyNDHBBBHDTMFYAC-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.90
Rot. Bonds6

About N-[1-(3-methylcyclohexyl)ethyl]-3-(oxan-4-yloxy)propanamide

N-[1-(3-methylcyclohexyl)ethyl]-3-(oxan-4-yloxy)propanamide (PubChem CID 75425155) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[1-(3-methylcyclohexyl)ethyl]-3-(oxan-4-yloxy)propanamide.

Molecular Properties

Compound NameN-[1-(3-methylcyclohexyl)ethyl]-3-(oxan-4-yloxy)propanamide
PubChem CID75425155
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC NameN-[1-(3-methylcyclohexyl)ethyl]-3-(oxan-4-yloxy)propanamide
SMILESCC1CCCC(C(C)NC(=O)CCOC2CCOCC2)C1
InChIInChI=1S/C17H31NO3/c1-13-4-3-5-15(12-13)14(2)18-17(19)8-11-21-16-6-9-20-10-7-16/h13-16H,3-12H2,1-2H3,(H,18,19)
InChIKeyNDHBBBHDTMFYAC-UHFFFAOYSA-N
XLogP2.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylcyclohexyl)ethyl]-3-(oxan-4-yloxy)propanamide?
The IUPAC name of N-[1-(3-methylcyclohexyl)ethyl]-3-(oxan-4-yloxy)propanamide (CID 75425155) is N-[1-(3-methylcyclohexyl)ethyl]-3-(oxan-4-yloxy)propanamide.
What is the SMILES notation for N-[1-(3-methylcyclohexyl)ethyl]-3-(oxan-4-yloxy)propanamide?
The canonical SMILES for N-[1-(3-methylcyclohexyl)ethyl]-3-(oxan-4-yloxy)propanamide is CC1CCCC(C(C)NC(=O)CCOC2CCOCC2)C1.
What is the InChIKey of N-[1-(3-methylcyclohexyl)ethyl]-3-(oxan-4-yloxy)propanamide?
The InChIKey is NDHBBBHDTMFYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c1-13-4-3-5-15(12-13)14(2)18-17(19)8-11-21-16-6-9-20-10-7-16/h13-16H,3-12H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(3-methylcyclohexyl)ethyl]-3-(oxan-4-yloxy)propanamide?
N-[1-(3-methylcyclohexyl)ethyl]-3-(oxan-4-yloxy)propanamide has a molecular weight of 297.44 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylcyclohexyl)ethyl]-3-(oxan-4-yloxy)propanamide is sourced from PubChem (CID 75425155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).